[gmx-users] How to increase nodes in mdrun option

hi all while running gromacs in parallel environment *mpirun -np 3* -machinefile machinefile /usr/local/gromacs/bin/mdrun_mpi -s fws_md.tpr -o fws_md.trr -c fws_pmd.pdb -g md.log -e md.edr *for mpirun 3 nodes i got the output,* while trying to increase the nodes to 5 or 8 i am getting the follo

[gmx-users] How to increase nodes in mdrun option

hi all while running gromacs in parallel environment i am getting the following command, the command i used is mpirun -np 5 -machinefile machinefile /usr/local/gromacs/bin/mdrun_mpi -s fws_md.tpr -o fws_md.trr -c fws_pmd.pdb -g md.log -e md.edr error: Program mdrun_mpi, VERSION 4.0.5 Sourc

[gmx-users] Parallel Installation of gromacs

done. I want to know whether the above steps are correct or not. help me in this regard thanks in advance -- Regards Mahendran. E -- Regards Mahendran. E -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive